instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: Ni3B.
The XRD pattern shows main peaks at: 26.5°(0.29), 37.9°(0.22), 46.8°(1.0), 54.6°(0.46), 61.7°(0.1), 68.4°(0.07), 80.9°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126274 | 3.36 3.36 3.36
90 90 90
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
B 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pr2MnNiO6.
The XRD pattern shows main peaks at: 23.0°(0.17), 25.7°(0.05), 32.8°(1.0), 40.4°(0.14), 47.0°(0.26), 48.5°(0.06), 54.2°(0.06), 58.5°(0.34), 68.7°(0.14), 78.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168798 | 5.46 5.49 7.72
90 90 90
Pr 0.008 0.460 0.250
Pr 0.992 0.540 0.750
Pr 0.492 0.960 0.250
Pr 0.508 0.040 0.750
Mn -0.000 0.000 -0.000
Mn 0.500 0.500 0.500
Ni -0.000 0.000 0.500
Ni 0.500 0.500 -0.000
O 0.927 0.011 0.243
O 0.073 0.989 0.757
O 0.573 0.511 0.257
O 0.427 0.489 0.743
O 0.208 0.721 0.040
O 0.792 0.279 0.960
O 0.... |
Below is a description of a material. | The chemical formula is: Ba3Ho4O9.
The XRD pattern shows main peaks at: 18.2°(0.13), 29.3°(1.0), 29.9°(0.83), 42.3°(0.39), 43.7°(0.16), 51.9°(0.23), 52.3°(0.36), 53.5°(0.09), 60.7°(0.16), 69.2°(0.13), 76.8°(0.07), 83.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-154309 | 9.16 9.16 9.16
38 38 38
Ba 0.000 0.000 0.000
Ba 0.836 0.836 0.836
Ba 0.418 0.418 0.418
Ho 0.575 0.575 0.575
Ho 0.136 0.136 0.136
Ho 0.262 0.262 0.262
Ho 0.701 0.701 0.701
O 0.977 0.860 0.418
O 0.860 0.418 0.977
O 0.418 0.977 0.860
O 0.412 0.875 0.299
O 0.875 0.299 0.412
O 0.299 0.412 0.875
O 0.538 0.962 0.425
O 0.962 0... |
Below is a description of a material. | The chemical formula is: LiSbTe2WO12.
The XRD pattern shows main peaks at: 24.2°(1.0), 33.6°(0.3), 35.3°(0.2), 43.3°(0.12), 49.6°(0.16), 54.8°(0.21), 57.1°(0.14), 59.1°(0.06), 62.4°(0.09), 63.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46403 | 5.08 5.33 7.37
94 90 90
Li 0.999 0.578 0.715
Sb 0.499 0.500 0.491
Te 0.504 0.507 -0.001
Te 0.000 0.004 0.496
W 0.002 0.013 0.004
O 0.695 0.193 0.940
O 0.821 0.315 0.570
O 0.193 0.311 0.058
O 0.637 0.506 0.241
O 0.364 0.497 0.753
O 0.166 0.679 0.444
O 0.875 0.006 0.247
O 0.303 0.812 0.058
O 0.112 -0.010 0.752
O 0.317 0.... |
Below is a description of a material. | The chemical formula is: Tb2CuIr.
The XRD pattern shows main peaks at: 22.4°(0.09), 36.9°(1.0), 53.2°(0.17), 66.5°(0.36), 78.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109307 | 4.87 4.87 4.87
59 60 59
Tb 0.250 0.250 0.250
Tb 0.750 0.750 0.750
Cu 0.500 0.500 0.500
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce3Hf.
The XRD pattern shows main peaks at: 32.9°(1.0), 38.2°(0.53), 55.2°(0.35), 65.8°(0.41), 69.1°(0.13), 81.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129082 | 4.71 4.71 4.71
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Hf 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CuIr2S4.
The XRD pattern shows main peaks at: 15.4°(0.63), 29.8°(1.0), 31.2°(0.34), 36.2°(0.51), 47.6°(0.34), 52.1°(0.62), 65.0°(0.11), 76.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173095 | 7.02 7.02 7.03
119 119 90
Cu 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Ir 0.875 0.625 0.250
Ir 0.375 0.625 0.250
Ir 0.375 0.625 0.750
Ir 0.375 0.125 0.750
S 0.135 0.865 0.730
S 0.595 0.865 0.730
S 0.155 0.385 0.770
S 0.615 0.385 0.770
S 0.135 0.405 0.270
S 0.135 0.865 0.270
S 0.615 0.385 0.230
S 0.615 0.845 0.230 |
Below is a description of a material. | The chemical formula is: VB.
The XRD pattern shows main peaks at: 22.1°(0.05), 31.3°(0.36), 37.6°(0.73), 44.0°(1.0), 45.0°(0.79), 55.1°(0.28), 60.6°(0.15), 62.6°(0.13), 71.6°(0.06), 73.7°(0.26), 78.6°(0.07), 80.3°(0.25), 86.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-16228 | 2.97 3.05 4.31
110 90 90
V 0.250 0.852 0.704
V 0.750 0.148 0.296
B 0.250 0.562 0.123
B 0.750 0.438 0.877 |
Below is a description of a material. | The chemical formula is: CuSiBr.
The XRD pattern shows main peaks at: 24.2°(0.64), 28.0°(0.08), 40.0°(1.0), 47.3°(0.29), 57.9°(0.17), 63.7°(0.12), 72.7°(0.33), 77.9°(0.08), 86.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51194 | 4.50 4.50 4.50
60 60 60
Cu 0.250 0.250 0.250
Si 0.000 0.000 0.000
Br 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba2CdPb.
The XRD pattern shows main peaks at: 18.1°(0.05), 29.7°(1.0), 42.6°(0.19), 52.8°(0.42), 61.8°(0.12), 70.0°(0.18), 85.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69368 | 6.01 6.01 6.01
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Cd 0.000 0.000 0.000
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sc2ZnCd.
The XRD pattern shows main peaks at: 18.3°(0.06), 26.0°(0.13), 37.0°(1.0), 53.5°(0.11), 66.8°(0.25), 78.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188317 | 4.85 3.45 4.85
89 90 90
Sc 0.000 0.125 0.875
Sc 0.500 0.125 0.375
Zn 0.000 0.625 0.375
Cd 0.500 0.625 0.875 |
Below is a description of a material. | The chemical formula is: ZnGaRh2.
The XRD pattern shows main peaks at: 42.3°(1.0), 61.4°(0.13), 77.4°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187065 | 3.02 3.02 6.05
90 90 90
Zn 0.500 0.500 -0.000
Rh -0.000 0.000 0.744
Rh 0.000 -0.000 0.256
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zr2ScOs.
The XRD pattern shows main peaks at: 17.7°(0.19), 20.4°(0.18), 32.7°(0.07), 35.8°(0.19), 37.4°(1.0), 38.2°(0.08), 49.3°(0.13), 52.7°(0.13), 55.2°(0.07), 65.4°(0.1), 67.4°(0.15), 68.5°(0.07), 79.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-194549 | 5.81 5.81 5.81
146 130 60
Sc 0.283 0.783 0.500
Os 0.502 0.502 -0.000
Zr 0.998 0.998 0.000
Zr 0.717 0.217 0.500 |
Below is a description of a material. | The chemical formula is: Mo2WSe2S4.
The XRD pattern shows main peaks at: 3.2°(1.0), 12.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28538 | 3.24 3.24 27.83
90 90 120
Mo 0.333 0.667 0.116
Mo 0.333 0.667 0.578
W 0.667 0.333 0.347
Se 0.333 0.666 0.409
Se 0.333 0.666 0.285
S 0.667 0.333 0.060
S 0.667 0.333 0.523
S 0.667 0.333 0.171
S 0.667 0.333 0.634 |
Below is a description of a material. | The chemical formula is: Ho3Ge4Pd4.
The XRD pattern shows main peaks at: 28.0°(0.09), 33.9°(1.0), 34.5°(0.29), 35.9°(0.87), 38.7°(0.37), 43.0°(0.33), 43.5°(0.4), 46.1°(0.09), 46.8°(0.18), 51.7°(0.17), 56.7°(0.16), 57.5°(0.08), 59.0°(0.09), 59.6°(0.09), 62.8°(0.22), 64.1°(0.1), 69.8°(0.08), 73.7°(0.11), 74.9°(0.1), 76.1... | JVASP-151454 | 8.10 8.10 8.10
150 128 60
Ho 0.500 0.000 0.500
Ho 0.874 0.874 0.000
Ho 0.126 0.126 0.000
Ge 0.717 0.217 0.500
Ge 0.283 0.783 0.500
Ge 0.811 0.500 0.311
Ge 0.189 0.500 0.689
Pd 0.527 0.325 0.202
Pd 0.473 0.675 0.798
Pd 0.877 0.675 0.202
Pd 0.123 0.325 0.798 |
Below is a description of a material. | The chemical formula is: Ca3Cl.
The XRD pattern shows main peaks at: 29.5°(1.0), 34.1°(0.48), 49.1°(0.32), 58.3°(0.37), 61.1°(0.11), 79.6°(0.13), 82.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129837 | 5.25 5.25 5.25
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiLaAl.
The XRD pattern shows main peaks at: 20.5°(1.0), 26.3°(0.13), 33.6°(0.94), 35.9°(0.44), 41.7°(0.15), 45.1°(0.19), 50.0°(0.3), 56.2°(0.13), 58.5°(0.11), 63.1°(0.3), 64.6°(0.08), 66.7°(0.14), 81.9°(0.09), 85.9°(0.13), 89.2°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-180700 | 5.00 5.00 3.39
90 90 119
Li 0.667 0.333 0.500
La -0.000 -0.000 -0.000
Al 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: MnBe2Fe.
The XRD pattern shows main peaks at: 33.1°(1.0), 34.6°(0.44), 47.4°(0.52), 48.6°(0.98), 60.1°(0.33), 69.4°(0.15), 73.1°(0.07), 79.0°(0.14), 79.9°(0.14), 82.6°(0.13), 89.2°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74962 | 2.71 2.71 5.18
90 90 90
Mn 0.500 0.500 0.500
Be 0.000 0.000 0.766
Be 0.000 0.000 0.234
Fe 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaPPd2.
The XRD pattern shows main peaks at: 12.9°(0.14), 25.2°(0.12), 26.0°(0.12), 28.4°(0.26), 36.0°(0.69), 36.6°(1.0), 39.5°(0.07), 44.9°(0.1), 51.8°(0.25), 54.5°(0.11), 60.1°(0.18), 65.0°(0.34), 66.2°(0.12), 67.0°(0.06), 76.3°(0.08), 77.7°(0.07), 83.3°(0.09), 87.3°(0.11).
Generate atomic st... | JVASP-182519 | 3.53 3.53 6.85
90 90 90
Ba 0.500 0.500 0.620
P 0.000 0.000 0.978
Pd 0.000 -0.000 0.315
Pd 0.500 0.500 0.096 |
Below is a description of a material. | The chemical formula is: LiAsAu.
The XRD pattern shows main peaks at: 11.6°(1.0), 23.2°(0.39), 32.3°(0.66), 34.4°(0.36), 35.1°(0.24), 40.1°(0.38), 46.3°(0.25), 47.9°(0.14), 48.4°(0.39), 52.4°(0.18), 59.4°(0.24), 67.5°(0.09), 70.2°(0.1), 72.5°(0.06), 76.8°(0.12), 78.0°(0.07), 78.5°(0.1), 79.3°(0.07), 81.5°(0.1), 87.4°(0... | JVASP-116383 | 2.77 2.77 7.66
90 90 90
Li 0.000 0.000 0.003
As 0.000 0.000 0.327
Au 0.000 0.000 0.690 |
Below is a description of a material. | The chemical formula is: RbNO2.
The XRD pattern shows main peaks at: 21.7°(0.49), 30.0°(0.87), 31.9°(1.0), 34.1°(0.16), 35.7°(0.17), 38.9°(0.2), 40.0°(0.1), 44.3°(0.3), 48.6°(0.31), 51.2°(0.19), 51.9°(0.1), 55.6°(0.24), 56.8°(0.1), 62.3°(0.09), 64.6°(0.06), 71.0°(0.1), 71.7°(0.13), 74.8°(0.11), 89.3°(0.08).
Generate at... | JVASP-52521 | 5.61 5.61 7.55
90 90 119
Rb -0.000 0.699 0.667
Rb 0.301 0.301 0.000
Rb 0.699 -0.000 0.333
N 0.000 0.700 0.167
N 0.300 0.300 0.500
N 0.700 0.000 0.833
O 0.108 0.632 0.290
O 0.524 0.892 0.957
O 0.368 0.476 0.624
O 0.476 0.368 0.376
O 0.632 0.108 0.710
O 0.892 0.524 0.043 |
Below is a description of a material. | The chemical formula is: LiInSe.
The XRD pattern shows main peaks at: 24.0°(0.29), 30.9°(1.0), 39.1°(0.11), 42.1°(0.27), 46.3°(0.1), 53.2°(0.2), 58.8°(0.21), 65.7°(0.11), 70.1°(0.17), 81.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184166 | 4.29 4.29 4.61
90 90 120
Li 0.333 0.667 0.500
In 0.000 -0.000 -0.000
Se 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Fe3NiN.
The XRD pattern shows main peaks at: 20.8°(1.0), 36.4°(0.41), 42.3°(0.82), 47.6°(0.43), 61.4°(0.43), 65.5°(0.2), 73.5°(0.12), 77.3°(0.14), 81.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92375 | 4.27 4.27 4.27
90 90 90
Fe 0.000 0.500 0.500
Fe 0.500 0.500 0.000
Fe 0.500 0.000 0.500
Ni 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pm2PdRu.
The XRD pattern shows main peaks at: 36.0°(1.0), 51.8°(0.18), 64.7°(0.36), 76.3°(0.11), 87.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40974 | 4.99 4.99 4.99
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: PrEr3.
The XRD pattern shows main peaks at: 28.8°(0.24), 31.8°(0.25), 32.9°(1.0), 43.4°(0.17), 51.0°(0.2), 57.3°(0.22), 61.3°(0.25), 62.0°(0.17), 80.2°(0.08), 84.3°(0.05), 88.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110459 | 7.17 7.17 5.64
90 90 120
Pr 0.333 0.667 0.750
Pr 0.667 0.333 0.250
Er 0.164 0.329 0.250
Er 0.671 0.836 0.250
Er 0.164 0.836 0.250
Er 0.836 0.671 0.750
Er 0.329 0.164 0.750
Er 0.836 0.164 0.750 |
Below is a description of a material. | The chemical formula is: NdHO2.
The XRD pattern shows main peaks at: 14.7°(0.21), 22.1°(0.13), 23.4°(0.37), 27.6°(1.0), 29.6°(0.67), 32.4°(0.46), 33.2°(0.33), 38.0°(0.2), 40.3°(0.2), 43.8°(0.14), 45.1°(0.18), 47.5°(0.18), 48.2°(0.31), 51.4°(0.39), 53.8°(0.18), 57.0°(0.28), 58.7°(0.1), 66.7°(0.14), 67.6°(0.1), 72.8°(0.0... | JVASP-149618 | 3.83 4.15 6.57
66 90 90
Nd 0.250 0.378 0.299
Nd 0.750 0.622 0.701
H 0.000 0.000 0.000
H 0.500 0.000 0.000
O 0.750 0.232 0.519
O 0.250 0.768 0.481
O 0.750 0.793 0.031
O 0.250 0.207 0.969 |
Below is a description of a material. | The chemical formula is: FeCO3.
The XRD pattern shows main peaks at: 26.1°(0.49), 34.4°(1.0), 40.0°(0.22), 44.6°(0.21), 48.4°(0.21), 53.7°(0.12), 56.8°(0.33), 57.7°(0.17), 64.5°(0.15), 69.0°(0.13), 72.6°(0.18), 86.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150852 | 5.34 5.34 5.34
49 49 49
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
C 0.750 0.750 0.750
C 0.250 0.250 0.250
O 0.039 0.461 0.750
O 0.461 0.750 0.039
O 0.750 0.039 0.461
O 0.961 0.539 0.250
O 0.539 0.250 0.961
O 0.250 0.961 0.539 |
Below is a description of a material. | The chemical formula is: Er2Lu2C3.
The XRD pattern shows main peaks at: 17.1°(0.06), 28.8°(0.3), 30.0°(0.12), 31.2°(0.48), 32.5°(0.65), 33.2°(1.0), 34.5°(0.29), 42.5°(0.25), 44.8°(0.11), 50.3°(0.18), 52.6°(0.25), 56.0°(0.16), 57.1°(0.21), 60.4°(0.16), 61.2°(0.12), 61.7°(0.13), 62.5°(0.1), 63.5°(0.12), 71.9°(0.1), 78.6°... | JVASP-162810 | 6.61 6.61 5.96
114 114 31
C 0.719 0.719 0.205
C -0.000 -0.000 0.500
C 0.281 0.281 0.795
Er 0.636 0.636 0.495
Er 0.364 0.364 0.505
Lu 0.867 0.867 0.055
Lu 0.133 0.133 0.945 |
Below is a description of a material. | The chemical formula is: InS.
The XRD pattern shows main peaks at: 22.9°(1.0), 32.6°(0.68), 40.0°(0.36), 46.6°(0.54), 52.6°(0.18), 63.3°(0.18), 68.1°(0.16), 77.4°(0.1), 82.2°(0.09), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114314 | 4.50 4.50 3.87
90 90 120
In 0.000 0.000 0.000
S 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Pr3U.
The XRD pattern shows main peaks at: 7.5°(0.22), 29.2°(0.13), 30.3°(0.52), 33.0°(1.0), 37.3°(0.18), 42.6°(0.13), 48.7°(0.05), 51.8°(0.23), 61.2°(0.29), 62.8°(0.16), 85.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124070 | 3.53 3.53 11.80
90 90 120
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.234
Pr 0.667 0.333 0.766
U 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pr3InN.
The XRD pattern shows main peaks at: 30.5°(1.0), 35.4°(0.57), 50.9°(0.4), 60.5°(0.41), 63.5°(0.13), 74.9°(0.06), 83.0°(0.18), 85.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173163 | 5.07 5.07 5.07
90 90 90
Pr 0.500 0.500 0.000
Pr 0.000 0.500 0.500
Pr 0.500 0.000 0.500
In -0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb2HgTe.
The XRD pattern shows main peaks at: 18.0°(0.05), 20.8°(0.12), 29.6°(1.0), 42.3°(0.18), 52.4°(0.25), 69.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81079 | 14.82 10.48 10.48
33 19 19
Rb 0.750 0.000 0.000
Rb 0.250 -0.000 -0.000
Hg 0.500 -0.000 -0.000
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cr2HgS4.
The XRD pattern shows main peaks at: 15.2°(0.15), 24.9°(0.93), 29.3°(1.0), 43.8°(0.38), 46.6°(0.45), 51.0°(0.47).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22230 | 7.16 7.16 7.16
60 60 60
Cr 0.500 0.000 0.500
Cr -0.000 0.500 0.500
Cr 0.500 0.500 -0.000
Cr 0.500 0.500 0.500
Hg 0.125 0.125 0.125
Hg 0.875 0.875 0.875
S 0.732 0.732 0.732
S 0.268 0.268 0.697
S 0.268 0.697 0.268
S 0.697 0.268 0.268
S 0.732 0.303 0.732
S 0.303 0.732 0.732
S 0.268 0.268 0.268
S 0.732 0.732 0.303 |
Below is a description of a material. | The chemical formula is: NaBeBi.
The XRD pattern shows main peaks at: 16.4°(0.6), 24.8°(1.0), 33.3°(0.48), 34.3°(0.57), 37.4°(0.33), 47.8°(0.36), 48.5°(0.16), 50.9°(0.16), 54.6°(0.24), 59.5°(0.13), 60.2°(0.24), 62.1°(0.09), 65.3°(0.1), 70.5°(0.11), 72.4°(0.1), 79.7°(0.12), 82.1°(0.08), 84.9°(0.13), 89.2°(0.09).
Generat... | JVASP-67683 | 6.03 6.03 6.03
143 143 52
Na 0.674 0.674 -0.000
Be 0.937 0.937 -0.000
Bi 0.389 0.389 -0.000 |
Below is a description of a material. | The chemical formula is: TlGeBr.
The XRD pattern shows main peaks at: 18.7°(0.4), 27.2°(0.5), 32.6°(1.0), 33.2°(0.21), 37.8°(0.07), 43.0°(0.94), 47.2°(0.08), 56.2°(0.07), 58.2°(0.19), 65.4°(0.27), 66.5°(0.26), 68.3°(0.12), 75.0°(0.18), 85.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-134255 | 5.49 5.49 3.27
90 90 120
Tl 0.667 0.333 0.000
Ge 0.333 0.667 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na2LiAlF6.
The XRD pattern shows main peaks at: 20.4°(0.38), 23.6°(0.14), 33.6°(0.31), 41.5°(1.0), 48.2°(0.96), 70.6°(0.52).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168331 | 5.33 5.33 5.33
60 60 60
Na 0.250 0.250 0.250
Na 0.750 0.750 0.750
Li 0.500 0.500 0.500
Al -0.000 0.000 -0.000
F 0.240 0.760 0.240
F 0.760 0.760 0.240
F 0.760 0.240 0.760
F 0.760 0.240 0.240
F 0.240 0.760 0.760
F 0.240 0.240 0.760 |
Below is a description of a material. | The chemical formula is: NdZn5.
The XRD pattern shows main peaks at: 28.4°(0.37), 33.1°(0.3), 38.4°(0.34), 39.6°(1.0), 42.8°(0.27), 44.2°(0.12), 55.2°(0.13), 56.4°(0.11), 58.9°(0.19), 63.5°(0.24), 69.5°(0.18), 76.2°(0.14), 85.2°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-18755 | 5.41 5.41 4.23
90 90 120
Nd 0.000 0.000 0.000
Zn -0.000 0.500 0.500
Zn 0.333 0.667 0.000
Zn 0.667 0.333 0.000
Zn 0.500 0.500 0.500
Zn 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: TmNi2Sn.
The XRD pattern shows main peaks at: 27.8°(0.19), 39.7°(1.0), 49.2°(0.06), 57.5°(0.17), 65.0°(0.08), 72.1°(0.35), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39891 | 4.54 4.54 4.54
59 60 59
Tm 0.750 0.750 0.750
Ni 0.000 -0.000 1.000
Ni 0.500 0.500 0.500
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Zn2CuRh.
The XRD pattern shows main peaks at: 10.8°(1.0), 12.7°(0.36), 17.6°(0.18), 21.0°(0.22), 21.7°(0.19), 25.5°(0.07), 27.3°(0.12), 31.2°(0.08), 32.9°(0.07), 33.3°(0.07), 39.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81346 | 9.56 9.85 9.85
61 60 60
Zn 0.753 0.000 0.000
Zn 0.247 -0.000 -0.000
Cu 0.000 0.000 0.000
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Mn5O5F.
The XRD pattern shows main peaks at: 6.2°(0.44), 12.4°(0.12), 24.9°(0.08), 29.9°(1.0), 30.5°(0.19), 31.3°(0.18), 32.4°(0.45), 35.4°(0.72), 43.8°(0.1), 53.0°(0.68), 62.0°(0.1), 62.8°(0.11), 65.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-46804 | 3.46 3.46 14.29
90 90 59
Mn 0.333 0.333 0.137
Mn 0.333 0.333 0.496
Mn 0.667 0.667 0.310
Mn 0.667 0.667 0.962
Mn 0.667 0.667 0.683
O 0.333 0.333 0.275
O 0.333 0.334 0.641
O 0.333 0.333 0.000
O 0.667 0.667 0.138
O 0.667 0.667 0.456
F 0.666 0.666 0.822 |
Below is a description of a material. | The chemical formula is: BaZn2N2.
The XRD pattern shows main peaks at: 18.8°(0.12), 26.8°(0.15), 29.2°(1.0), 32.0°(0.27), 35.0°(0.37), 38.2°(0.11), 42.9°(0.39), 44.6°(0.12), 45.0°(0.17), 45.5°(0.11), 50.7°(0.07), 60.1°(0.23), 62.4°(0.06), 63.6°(0.16), 64.0°(0.24), 67.0°(0.06), 80.2°(0.06), 89.1°(0.07).
Generate atomic ... | JVASP-100048 | 6.20 6.66 8.05
90 49 57
Ba 0.000 0.000 0.250
Ba 0.000 0.000 0.750
Zn 0.731 0.500 0.634
Zn 0.269 0.500 0.366
Zn 0.269 0.231 0.866
Zn 0.731 0.769 0.134
N 0.673 0.500 0.163
N 0.327 0.500 0.837
N 0.327 0.173 0.337
N 0.673 0.827 0.663 |
Below is a description of a material. | The chemical formula is: NaPrHg2.
The XRD pattern shows main peaks at: 20.6°(0.1), 23.8°(0.18), 34.0°(1.0), 40.1°(0.05), 41.9°(0.06), 48.8°(0.19), 55.0°(0.09), 60.8°(0.39), 71.5°(0.12), 81.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41318 | 5.28 5.28 5.28
60 60 60
Na 0.250 0.250 0.250
Pr 0.750 0.750 0.750
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti8BiO7.
The XRD pattern shows main peaks at: 10.5°(0.29), 12.4°(0.71), 19.4°(0.2), 21.0°(0.22), 25.0°(0.13), 31.1°(0.37), 31.8°(0.6), 32.1°(0.68), 34.7°(0.16), 37.9°(0.54), 39.1°(1.0), 41.7°(0.43), 43.4°(0.24), 43.9°(0.13), 48.7°(0.17), 56.9°(0.19), 58.2°(0.33), 61.3°(0.13), 67.4°(0.13), 74.4°... | JVASP-146754 | 9.32 9.32 3.02
90 90 130
Ti 0.488 0.145 0.500
Ti 0.512 0.855 0.500
Ti 0.145 0.488 0.500
Ti 0.855 0.512 0.500
Ti 0.174 0.174 0.000
Ti 0.826 0.826 0.000
Ti 0.203 0.797 0.000
Ti 0.797 0.203 0.000
Bi 0.500 0.500 0.500
O 0.298 0.057 0.000
O 0.702 0.943 0.000
O 0.057 0.298 0.000
O 0.943 0.702 0.000
O 0.322 0.678 0.000
O 0.67... |
Below is a description of a material. | The chemical formula is: VPN3.
The XRD pattern shows main peaks at: 19.7°(1.0), 20.7°(0.54), 34.0°(0.18), 35.6°(0.39), 38.6°(0.47), 39.1°(0.17), 47.9°(0.09), 52.7°(0.21), 54.3°(0.11), 55.1°(0.06), 61.9°(0.07), 63.9°(0.11), 65.6°(0.18), 66.6°(0.11), 68.7°(0.06), 75.5°(0.05), 79.9°(0.07).
Generate atomic structure descri... | JVASP-180186 | 2.73 5.05 5.05
63 90 90
V 0.000 0.585 0.585
P 0.500 0.924 0.924
N 0.500 0.768 0.283
N 0.000 0.811 0.811
N 0.500 0.283 0.768 |
Below is a description of a material. | The chemical formula is: Y2ZnPt.
The XRD pattern shows main peaks at: 12.6°(0.29), 25.6°(0.09), 30.5°(1.0), 39.3°(0.08), 42.8°(0.35), 44.6°(0.35), 52.0°(0.07), 55.0°(0.18), 63.5°(0.08), 70.8°(0.09), 73.4°(0.1), 80.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80448 | 11.73 9.38 9.38
25 18 18
Y 0.791 -0.033 -0.033
Y 0.209 0.033 0.033
Zn 0.000 0.000 0.000
Pt 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BeCuSi.
The XRD pattern shows main peaks at: 15.6°(0.75), 31.6°(0.2), 38.9°(0.3), 42.2°(1.0), 48.1°(0.16), 50.9°(0.53), 63.5°(0.12), 70.4°(0.14), 72.7°(0.07), 79.2°(0.23), 85.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65268 | 2.67 2.67 5.67
90 90 120
Be 0.000 0.000 0.006
Cu 0.667 0.333 0.318
Si 0.333 0.667 0.675 |
Below is a description of a material. | The chemical formula is: LaAu.
The XRD pattern shows main peaks at: 15.4°(0.14), 23.6°(0.13), 30.0°(1.0), 31.1°(0.39), 36.3°(0.27), 37.5°(0.98), 45.5°(0.3), 49.2°(0.22), 56.1°(0.15), 59.5°(0.12), 60.1°(0.26), 60.9°(0.11), 62.6°(0.14), 64.2°(0.11), 67.2°(0.18), 69.2°(0.16), 73.6°(0.13), 74.5°(0.08), 78.7°(0.13), 85.6°(0... | JVASP-98176 | 3.99 4.84 6.09
90 109 90
La 0.865 0.750 0.730
La 0.135 0.250 0.270
Au 0.590 0.750 0.180
Au 0.410 0.250 0.820 |
Below is a description of a material. | The chemical formula is: Ca2Cr2O5.
The XRD pattern shows main peaks at: 22.7°(0.06), 24.2°(0.12), 33.5°(1.0), 33.9°(0.44), 35.2°(0.42), 39.0°(0.1), 42.2°(0.06), 43.4°(0.06), 46.3°(0.32), 49.7°(0.38), 58.6°(0.14), 59.5°(0.16), 60.4°(0.2), 70.3°(0.23), 77.6°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-9624 | 5.29 3.92 10.20
90 90 90
Ca 0.787 0.500 0.879
Ca 0.213 0.500 0.121
Ca 0.287 0.500 0.621
Ca 0.713 0.500 0.379
Cr 0.765 0.000 0.632
Cr 0.235 0.000 0.368
Cr 0.735 0.000 0.132
Cr 0.265 0.000 0.868
O 0.788 0.500 0.612
O 0.102 0.000 0.703
O 0.288 0.500 0.888
O 0.712 0.500 0.112
O 0.500 0.000 0.500
O 0.398 0.000 0.203
O 0.898... |
Below is a description of a material. | The chemical formula is: CaGe2O5.
The XRD pattern shows main peaks at: 17.7°(0.23), 18.6°(0.18), 25.9°(0.15), 27.8°(1.0), 29.4°(0.93), 33.6°(0.97), 34.6°(0.65), 37.8°(0.21), 38.8°(0.13), 43.7°(0.26), 53.3°(0.34), 54.9°(0.36), 58.4°(0.25), 60.0°(0.14), 62.4°(0.24), 64.6°(0.14), 66.2°(0.14), 66.6°(0.13), 68.7°(0.15), 74.... | JVASP-9432 | 5.54 5.54 6.94
103 103 106
Ca 0.330 0.670 0.750
Ca 0.670 0.330 0.250
Ge 0.315 0.685 0.250
Ge 0.685 0.315 0.750
Ge 0.000 0.000 0.000
Ge -0.000 -0.000 0.500
O 0.690 0.094 0.898
O 0.906 0.310 0.602
O 0.310 0.906 0.102
O 0.094 0.690 0.398
O 0.249 0.368 0.069
O 0.632 0.751 0.431
O 0.072 0.928 0.750
O 0.928 0.072 0.250
O 0.3... |
Below is a description of a material. | The chemical formula is: KCoAu3C6N6.
The XRD pattern shows main peaks at: 11.7°(1.0), 19.2°(0.82), 23.4°(0.42), 29.1°(0.4), 30.7°(0.66), 33.0°(0.97), 35.5°(0.11), 39.0°(0.83), 47.6°(0.32), 54.6°(0.14), 56.1°(0.17), 58.0°(0.27), 60.2°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-86173 | 6.72 6.72 7.60
90 90 120
K 0.333 0.667 0.500
Co 0.000 0.000 0.500
Au 0.504 0.007 0.000
Au 0.993 0.496 0.000
Au 0.504 0.496 0.000
C 0.667 0.660 0.783
C 0.992 0.333 0.783
C 0.340 0.333 0.217
C 0.340 0.008 0.783
C 0.667 0.008 0.217
C 0.992 0.660 0.217
N 0.236 0.003 0.658
N 0.997 0.764 0.342
N 0.768 0.003 0.342
N 0.236 0.2... |
Below is a description of a material. | The chemical formula is: Mn3Si.
The XRD pattern shows main peaks at: 15.6°(0.06), 45.8°(1.0), 46.3°(0.47), 66.0°(0.08), 67.5°(0.14), 84.4°(0.14), 85.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107749 | 2.77 2.77 5.66
90 90 90
Mn 0.000 0.000 0.748
Mn 0.000 0.000 0.252
Mn 0.500 0.500 0.000
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScCl3.
The XRD pattern shows main peaks at: 14.0°(0.86), 22.8°(0.31), 23.3°(0.23), 28.6°(0.47), 30.0°(0.67), 31.2°(1.0), 32.7°(0.22), 33.7°(0.81), 36.6°(0.14), 39.4°(0.17), 41.8°(0.11), 43.0°(0.39), 44.7°(0.26), 46.6°(0.12), 47.6°(0.13), 50.8°(0.33), 53.0°(0.32), 55.7°(0.33), 58.7°(0.09), 72.7°... | JVASP-124296 | 6.26 4.11 6.89
72 113 139
Sc 0.762 1.000 0.255
Cl 0.088 0.000 0.569
Cl 0.784 0.000 0.930
Cl 0.365 1.000 0.246 |
Below is a description of a material. | The chemical formula is: RbNiBr3.
The XRD pattern shows main peaks at: 14.1°(0.22), 24.5°(0.06), 28.3°(0.08), 28.9°(0.19), 31.9°(1.0), 40.9°(0.32), 50.2°(0.23), 53.1°(0.23), 58.9°(0.14), 60.7°(0.14), 66.6°(0.07), 76.1°(0.07), 81.8°(0.12), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-12759 | 7.28 7.28 6.18
90 90 120
Rb 0.667 0.333 0.250
Rb 0.333 0.667 0.750
Ni 0.000 0.000 0.500
Ni 0.000 0.000 0.000
Br 0.677 0.839 0.250
Br 0.839 0.161 0.750
Br 0.161 0.839 0.250
Br 0.323 0.161 0.750
Br 0.839 0.677 0.750
Br 0.161 0.323 0.250 |
Below is a description of a material. | The chemical formula is: ScZn2Au.
The XRD pattern shows main peaks at: 24.0°(0.4), 27.8°(0.09), 39.7°(1.0), 47.0°(0.22), 57.5°(0.18), 63.2°(0.1), 72.1°(0.34), 77.3°(0.08), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39123 | 4.54 4.54 4.54
60 60 60
Sc 0.750 0.750 0.750
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: K2MgCr2H4O10.
The XRD pattern shows main peaks at: 13.0°(0.12), 16.1°(0.25), 17.1°(0.1), 18.3°(0.11), 21.1°(0.08), 23.9°(0.17), 24.5°(0.27), 26.2°(0.45), 27.6°(0.22), 28.0°(0.64), 30.1°(1.0), 31.8°(0.48), 32.6°(0.18), 33.6°(0.14), 39.9°(0.09), 40.3°(0.18), 42.9°(0.14), 46.0°(0.14), 49.8°(0.13),... | JVASP-154753 | 5.68 6.39 7.98
61 68 70
K 0.655 0.467 0.237
K 0.345 0.533 0.763
Mg 0.000 0.000 0.000
Cr 0.673 0.899 0.761
Cr 0.327 0.101 0.239
H 0.073 0.554 0.302
H 0.927 0.446 0.698
H 0.883 0.746 0.391
H 0.117 0.254 0.609
O 0.110 0.184 0.111
O 0.890 0.816 0.889
O 0.610 0.167 0.082
O 0.390 0.833 0.918
O 0.640 0.188 0.622
O 0.771 0.738... |
Below is a description of a material. | The chemical formula is: V2As.
The XRD pattern shows main peaks at: 29.8°(0.07), 39.4°(0.68), 44.2°(1.0), 57.0°(0.21), 71.2°(0.06), 74.8°(0.34), 84.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185432 | 4.57 4.58 3.23
69 134 90
V 0.256 0.284 0.465
V 0.591 0.612 0.136
As 0.924 0.948 0.801 |
Below is a description of a material. | The chemical formula is: Li2SO4.
The XRD pattern shows main peaks at: 20.1°(1.0), 23.2°(0.14), 33.1°(0.17), 40.8°(0.13), 69.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109392 | 5.42 5.42 5.42
60 60 60
Li 0.750 0.750 0.750
Li 0.250 0.250 0.250
S 0.000 0.000 0.000
O 0.889 0.889 0.334
O 0.889 0.334 0.889
O 0.334 0.889 0.889
O 0.889 0.889 0.889 |
Below is a description of a material. | The chemical formula is: MgCl2.
The XRD pattern shows main peaks at: 15.2°(0.33), 28.7°(0.1), 30.1°(0.37), 30.7°(0.11), 35.1°(1.0), 46.4°(0.08), 50.0°(0.31), 50.9°(0.28), 62.6°(0.15), 74.1°(0.09), 84.1°(0.13), 85.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170 | 6.19 6.19 6.19
34 34 34
Mg 0.000 0.000 0.000
Cl 0.255 0.255 0.255
Cl 0.745 0.745 0.745 |
Below is a description of a material. | The chemical formula is: LaY2ScH.
The XRD pattern shows main peaks at: 18.0°(0.11), 25.2°(0.11), 31.1°(1.0), 35.5°(0.16), 36.4°(0.32), 51.8°(0.23), 52.4°(0.11), 61.1°(0.14), 62.2°(0.27), 64.9°(0.12), 84.6°(0.11), 85.6°(0.05), 86.6°(0.05), 88.0°(0.05).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-187610 | 4.94 4.94 5.05
90 90 90
Y 0.000 0.500 0.000
Y 0.500 0.000 0.000
Sc 0.500 0.500 0.500
H 0.000 0.000 0.000
La 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiTaW2.
The XRD pattern shows main peaks at: 24.4°(0.28), 28.2°(0.15), 40.4°(1.0), 47.7°(0.14), 58.4°(0.19), 64.2°(0.06), 66.1°(0.06), 73.4°(0.37), 87.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51130 | 4.47 4.47 4.47
60 60 60
Li 0.000 0.000 0.000
Ta 0.500 0.500 0.500
W 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TmPb3.
The XRD pattern shows main peaks at: 31.9°(1.0), 37.0°(0.5), 53.4°(0.35), 63.5°(0.4), 66.7°(0.12), 78.8°(0.05), 87.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126439 | 4.86 4.86 4.86
90 90 90
Tm 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Fe3O4F2.
The XRD pattern shows main peaks at: 28.0°(1.0), 36.1°(0.46), 40.0°(0.08), 41.5°(0.11), 54.9°(0.32), 57.8°(0.15), 65.5°(0.07), 70.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42719 | 4.51 4.51 9.98
90 116 90
Fe 0.000 0.000 0.000
Fe 0.310 0.027 0.347
Fe 0.690 0.973 0.653
Fe 0.690 0.527 0.153
Fe 0.310 0.473 0.847
Fe -0.000 0.500 0.500
O 0.295 0.790 0.501
O 0.979 0.826 0.167
O 0.021 0.326 0.333
O 0.705 0.290 0.999
O 0.295 0.710 0.001
O 0.021 0.174 0.833
O 0.705 0.210 0.499
O 0.979 0.674 0.667
F 0.381 ... |
Below is a description of a material. | The chemical formula is: Cr3AuO8.
The XRD pattern shows main peaks at: 11.5°(0.11), 19.3°(0.74), 21.0°(0.23), 21.7°(1.0), 23.1°(0.13), 25.5°(0.27), 28.9°(0.55), 31.5°(0.58), 32.8°(0.31), 34.9°(0.15), 35.8°(0.39), 38.0°(0.11), 40.5°(0.15), 42.0°(0.12), 44.2°(0.2), 47.8°(0.13), 49.7°(0.14), 57.8°(0.1), 58.5°(0.13), 63.3°... | JVASP-51631 | 5.08 5.08 7.81
82 82 65
Cr 0.670 0.670 0.298
Cr 0.330 0.330 0.702
Cr 0.000 0.000 0.500
Au 0.000 0.000 0.000
O 0.303 0.808 0.323
O 0.697 0.192 0.677
O 0.790 0.790 0.446
O 0.192 0.697 0.677
O 0.210 0.210 0.554
O 0.228 0.228 0.902
O 0.808 0.303 0.323
O 0.772 0.772 0.098 |
Below is a description of a material. | The chemical formula is: BaInSb.
The XRD pattern shows main peaks at: 19.4°(0.33), 22.4°(0.1), 32.0°(1.0), 37.7°(0.17), 45.8°(0.2), 50.2°(0.08), 56.9°(0.39), 60.7°(0.05), 66.8°(0.13), 70.3°(0.06), 76.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66581 | 5.60 5.60 5.60
60 60 60
Ba 0.750 0.750 0.750
In 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: GaAg2.
The XRD pattern shows main peaks at: 22.7°(0.07), 35.0°(0.12), 38.4°(0.96), 39.9°(1.0), 40.8°(0.21), 47.2°(0.11), 56.6°(0.26), 63.7°(0.09), 68.3°(0.14), 71.5°(0.21), 77.8°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14793 | 7.82 7.82 2.92
90 90 120
Ga 0.667 0.333 0.000
Ga 0.333 0.667 0.000
Ga 0.000 0.000 0.500
Ag -0.000 0.695 0.000
Ag 0.305 0.305 0.000
Ag 0.695 -0.000 0.000
Ag 0.361 -0.000 0.500
Ag 0.639 0.639 0.500
Ag -0.000 0.361 0.500 |
Below is a description of a material. | The chemical formula is: V6O7F5.
The XRD pattern shows main peaks at: 27.0°(1.0), 27.3°(1.0), 35.5°(0.59), 38.8°(0.08), 40.5°(0.33), 43.4°(0.07), 53.5°(0.54), 53.9°(0.22), 55.6°(0.15), 56.3°(0.15), 61.5°(0.16), 68.3°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44056 | 5.55 5.53 7.26
71 71 72
V 0.703 0.680 0.835
V 0.340 0.337 0.669
V 0.678 0.617 0.315
V 0.330 0.331 0.160
V 0.975 0.995 0.514
V 0.974 0.037 0.005
O 0.690 0.322 0.995
O 0.971 0.344 0.334
O 0.631 0.039 0.671
O 0.775 0.770 0.039
O 0.229 0.233 0.965
O 0.043 0.633 0.668
O 0.433 0.427 0.363
F 0.097 0.103 0.702
F 0.367 0.953 0.... |
Below is a description of a material. | The chemical formula is: InI2.
The XRD pattern shows main peaks at: 15.3°(0.22), 18.7°(0.1), 19.6°(0.11), 24.3°(0.28), 24.9°(0.17), 27.2°(1.0), 30.9°(0.39), 31.3°(0.21), 37.9°(0.15), 39.7°(0.2), 41.1°(0.1), 41.6°(0.6), 45.9°(0.19), 49.7°(0.14), 51.2°(0.18), 56.1°(0.09), 60.7°(0.06), 64.6°(0.08), 71.3°(0.12).
Generate a... | JVASP-115138 | 6.57 4.75 5.78
90 90 136
In 0.027 0.081 0.996
I 0.028 0.205 0.496
I 0.527 0.151 0.996 |
Below is a description of a material. | The chemical formula is: TiSnRh2.
The XRD pattern shows main peaks at: 24.3°(0.1), 40.2°(1.0), 47.5°(0.06), 58.1°(0.19), 73.0°(0.35), 86.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79994 | 4.49 4.49 4.49
60 60 60
Ti 0.750 0.750 0.750
Sn 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Lu2TlIn.
The XRD pattern shows main peaks at: 34.3°(1.0), 49.3°(0.18), 61.4°(0.38), 72.3°(0.1), 82.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99812 | 5.23 5.23 5.23
60 60 60
Lu 0.250 0.250 0.250
Lu 0.750 0.750 0.750
Tl 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiMn5Cu2O12.
The XRD pattern shows main peaks at: 9.8°(0.13), 19.8°(0.65), 21.1°(0.6), 22.9°(0.62), 29.1°(0.1), 33.4°(0.12), 34.2°(0.18), 36.9°(0.36), 38.1°(0.27), 40.1°(0.11), 41.2°(0.59), 42.9°(0.14), 46.1°(1.0), 61.3°(0.31), 62.0°(0.06), 65.8°(0.24), 66.6°(0.13), 78.6°(0.07), 81.4°(0.12).
Ge... | JVASP-46801 | 5.00 5.00 9.05
86 93 65
Li 0.920 0.920 0.750
Mn 0.085 0.085 0.250
Mn 0.423 0.423 0.250
Mn 0.576 0.576 0.750
Mn 0.512 -0.003 0.511
Mn -0.003 0.512 0.989
Cu 0.244 0.244 0.750
Cu 0.753 0.753 0.250
O 0.666 0.800 0.885
O 0.762 0.420 0.145
O 0.747 0.083 0.356
O 0.420 0.762 0.355
O 0.553 0.262 0.636
O 0.083 0.747 0.144
O 0.26... |
Below is a description of a material. | The chemical formula is: Be2BiTe.
The XRD pattern shows main peaks at: 13.2°(0.1), 25.4°(1.0), 26.6°(0.44), 28.7°(0.11), 36.2°(0.46), 37.1°(0.82), 45.5°(0.44), 52.2°(0.15), 54.9°(0.06), 58.9°(0.2), 59.5°(0.2), 61.4°(0.19), 65.7°(0.3), 67.5°(0.14), 76.9°(0.05), 79.1°(0.09), 83.1°(0.07), 84.7°(0.17), 88.1°(0.08), 88.6°(0... | JVASP-68829 | 3.51 3.51 6.69
90 90 90
Be 0.000 0.000 0.670
Be 0.000 0.000 0.330
Bi 0.500 0.500 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sc2AgRu.
The XRD pattern shows main peaks at: 27.1°(0.23), 38.7°(1.0), 47.8°(0.07), 55.8°(0.18), 63.1°(0.09), 69.9°(0.32), 82.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41894 | 4.66 4.66 4.66
60 60 60
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CeMg6Cr.
The XRD pattern shows main peaks at: 15.3°(0.25), 15.7°(0.81), 17.6°(0.13), 23.4°(0.31), 23.7°(0.34), 26.9°(0.09), 27.6°(0.12), 31.7°(0.4), 32.3°(0.33), 35.7°(1.0), 36.5°(0.91), 39.1°(0.17), 45.7°(0.16), 48.4°(0.23), 55.3°(0.16), 57.0°(0.09), 64.1°(0.11), 64.6°(0.16), 67.6°(0.18), 69.1... | JVASP-93104 | 6.64 6.64 5.04
90 90 121
Ce 0.183 0.317 0.250
Mg 0.179 0.831 0.250
Mg 0.669 0.321 0.250
Mg 0.663 0.837 0.250
Mg 0.327 0.680 0.750
Mg 0.820 0.173 0.750
Mg 0.827 0.673 0.750
Cr 0.332 0.168 0.750 |
Below is a description of a material. | The chemical formula is: MgGa2.
The XRD pattern shows main peaks at: 23.7°(0.33), 25.3°(0.36), 27.0°(0.38), 35.0°(0.76), 41.8°(1.0), 45.6°(0.65), 49.4°(0.33), 55.6°(0.19), 63.5°(0.23), 71.5°(0.22), 71.8°(0.18), 76.2°(0.16), 78.9°(0.23), 81.8°(0.05), 86.4°(0.13).
Generate atomic structure description with lattice length... | JVASP-18704 | 4.33 4.33 7.05
90 90 120
Mg 0.000 0.000 0.250
Mg 0.000 0.000 0.750
Ga 0.667 0.333 0.446
Ga 0.333 0.667 0.946
Ga 0.667 0.333 0.054
Ga 0.333 0.667 0.554 |
Below is a description of a material. | The chemical formula is: Ba4TcCl.
The XRD pattern shows main peaks at: 15.9°(0.36), 26.1°(0.11), 30.7°(1.0), 32.1°(0.63), 37.2°(0.18), 40.7°(0.1), 49.0°(0.33), 53.6°(0.33), 56.3°(0.09), 63.1°(0.12), 63.9°(0.26), 75.5°(0.21), 79.3°(0.05), 87.4°(0.06), 88.1°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-64111 | 6.84 6.84 6.84
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Tc 0.000 0.000 0.000
Cl 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrSm2O4.
The XRD pattern shows main peaks at: 15.3°(0.37), 25.1°(0.15), 29.5°(1.0), 30.9°(0.39), 35.8°(0.27), 47.1°(0.43), 51.5°(0.45), 54.1°(0.08), 60.5°(0.14), 61.3°(0.2), 64.3°(0.05), 72.4°(0.23), 75.9°(0.07), 83.5°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-164738 | 7.09 7.09 7.09
59 90 120
Sr 0.625 0.750 0.125
Sr 0.375 0.250 0.875
Sm -0.000 0.500 -0.000
Sm 0.500 0.000 0.500
Sm -0.000 0.000 0.500
Sm -0.000 0.500 0.500
O 0.765 0.030 0.265
O 0.765 0.470 0.265
O 0.204 0.470 0.265
O 0.235 0.970 0.296
O 0.765 0.030 0.704
O 0.796 0.530 0.735
O 0.235 0.530 0.735
O 0.235 0.970 0.735 |
Below is a description of a material. | The chemical formula is: Y3GaC.
The XRD pattern shows main peaks at: 32.0°(1.0), 37.1°(0.57), 53.5°(0.36), 63.7°(0.39), 66.9°(0.12), 79.0°(0.06), 87.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16264 | 4.85 4.85 4.85
90 90 90
Y 0.500 0.000 0.500
Y 0.500 0.500 0.000
Y 0.000 0.500 0.500
Ga 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrSO.
The XRD pattern shows main peaks at: 13.9°(0.19), 27.9°(0.2), 28.4°(1.0), 35.1°(0.77), 37.6°(0.94), 45.5°(0.51), 49.7°(0.25), 50.5°(0.43), 56.2°(0.16), 59.0°(0.26), 63.7°(0.2), 64.7°(0.34), 73.6°(0.15), 74.3°(0.17), 81.3°(0.05), 84.9°(0.22), 85.5°(0.18), 86.4°(0.08).
Generate atomic struc... | JVASP-113714 | 3.61 3.61 6.39
90 90 90
Zr 0.500 0.000 0.803
Zr 0.000 0.500 0.197
S 0.000 0.500 0.628
S 0.500 0.000 0.372
O 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nd2MnFeO6.
The XRD pattern shows main peaks at: 23.2°(0.21), 26.0°(0.09), 33.1°(1.0), 34.9°(0.07), 41.0°(0.11), 47.4°(0.24), 49.0°(0.09), 54.6°(0.09), 59.3°(0.27), 69.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170477 | 5.39 5.46 7.63
90 90 90
Nd 0.509 0.546 0.249
Nd 0.991 0.046 0.251
Nd 0.491 0.454 0.751
Nd 0.009 0.954 0.749
Mn 0.000 0.500 0.000
Mn 0.500 -0.000 0.500
Fe 0.000 0.500 0.500
Fe 0.500 -0.000 0.000
O 0.210 0.213 0.960
O 0.290 0.713 0.540
O 0.788 0.789 0.460
O 0.712 0.289 0.040
O 0.790 0.787 0.040
O 0.710 0.287 0.460
O 0.21... |
Below is a description of a material. | The chemical formula is: GaAgSe2.
The XRD pattern shows main peaks at: 26.3°(1.0), 42.7°(0.48), 45.3°(0.21), 48.6°(0.17), 53.1°(0.28), 65.9°(0.07), 68.6°(0.11), 72.3°(0.05), 76.5°(0.08), 81.8°(0.15), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102756 | 4.01 4.01 6.36
90 90 90
Ga 0.500 0.500 0.500
Ag 0.000 0.000 0.000
Se 0.000 0.500 0.272
Se 0.500 0.000 0.728 |
Below is a description of a material. | The chemical formula is: HfZr5.
The XRD pattern shows main peaks at: 18.4°(0.07), 25.3°(0.05), 32.2°(0.28), 34.9°(0.28), 36.7°(1.0), 48.2°(0.17), 57.4°(0.2), 63.8°(0.21), 69.0°(0.22), 70.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187913 | 5.14 5.56 5.56
120 90 90
Hf 0.500 0.000 0.000
Zr -0.000 0.330 0.330
Zr 0.000 0.000 0.670
Zr -0.000 0.670 0.000
Zr 0.500 0.667 0.333
Zr 0.500 0.333 0.667 |
Below is a description of a material. | The chemical formula is: NaLa2TaTi2O10.
The XRD pattern shows main peaks at: 5.9°(1.0), 11.9°(0.35), 23.2°(0.06), 23.9°(0.05), 24.7°(0.29), 27.5°(0.34), 31.2°(0.59), 32.7°(0.31), 40.9°(0.12), 46.9°(0.23), 57.5°(0.23), 68.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ... | JVASP-168972 | 3.87 3.87 15.13
82 82 89
Na 0.755 0.240 0.504
La 0.441 0.425 0.135
La 0.589 0.574 0.839
Ta 0.861 0.845 0.293
Ti 0.008 0.993 0.999
Ti 0.158 0.143 0.700
O 0.214 0.200 0.586
O 0.801 0.785 0.414
O 0.639 0.124 0.738
O 0.138 0.623 0.739
O 0.377 0.862 0.261
O 0.877 0.361 0.262
O 0.070 0.056 0.874
O 0.939 0.924 0.136
O 0.502 0... |
Below is a description of a material. | The chemical formula is: BeSiW2.
The XRD pattern shows main peaks at: 16.3°(0.87), 32.6°(0.84), 40.0°(0.64), 43.8°(1.0), 50.4°(0.08), 57.9°(0.22), 58.7°(0.1), 60.6°(0.11), 66.2°(0.13), 68.0°(0.21), 69.2°(0.06), 75.3°(0.4), 80.3°(0.08), 83.0°(0.14), 86.4°(0.07), 87.0°(0.07).
Generate atomic structure description with la... | JVASP-67770 | 3.19 3.19 5.43
90 90 90
Be 0.000 0.000 0.502
Si 0.500 0.500 0.732
W 0.000 0.000 0.003
W 0.500 0.500 0.264 |
Below is a description of a material. | The chemical formula is: DyCd2.
The XRD pattern shows main peaks at: 33.7°(1.0), 36.3°(0.78), 50.4°(0.31), 54.0°(0.08), 63.7°(0.31), 65.4°(0.13), 66.9°(0.25), 77.1°(0.08), 86.9°(0.13), 89.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16470 | 4.95 4.95 3.39
90 90 120
Dy 0.000 0.000 0.000
Cd 0.333 0.667 0.500
Cd 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: KBIr2.
The XRD pattern shows main peaks at: 28.9°(0.81), 41.3°(1.0), 51.2°(0.23), 59.9°(0.17), 67.8°(0.29), 75.4°(0.33), 89.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51277 | 4.37 4.37 4.37
60 60 60
K 0.500 0.500 0.500
B 0.000 0.000 0.000
Ir 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ca2I.
The XRD pattern shows main peaks at: 10.1°(1.0), 22.8°(0.71), 25.0°(0.74), 30.7°(0.72), 34.1°(0.47), 38.6°(0.75), 41.2°(0.08), 46.6°(0.14), 47.6°(0.12), 52.6°(0.14), 53.6°(0.17), 56.8°(0.31), 57.6°(0.09), 62.1°(0.13), 62.8°(0.15), 63.9°(0.07), 68.9°(0.07), 76.5°(0.07), 77.1°(0.08), 81.2°(... | JVASP-136267 | 3.89 3.90 8.77
90 90 90
Ca -0.033 0.000 0.706
Ca -0.033 0.000 0.294
I 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg2CrB2Ir5.
The XRD pattern shows main peaks at: 20.9°(0.53), 29.8°(0.56), 30.8°(0.99), 34.1°(0.6), 37.5°(0.37), 37.9°(0.21), 39.1°(0.81), 41.1°(0.24), 42.6°(0.54), 43.4°(1.0), 46.6°(0.64), 49.6°(0.14), 50.6°(0.59), 53.5°(0.31), 64.2°(0.2), 71.5°(0.19), 74.7°(0.14), 77.8°(0.24), 78.5°(0.16), 80... | JVASP-173664 | 2.90 9.49 9.49
90 90 90
Mg -0.000 0.323 0.823
Mg 0.000 0.677 0.177
Mg 0.000 0.177 0.323
Mg -0.000 0.823 0.677
Cr -0.000 0.500 0.500
Cr -0.000 -0.000 -0.000
B 0.000 0.125 0.625
B -0.000 0.875 0.375
B -0.000 0.375 0.125
B 0.000 0.625 0.875
Ir 0.500 -0.000 0.500
Ir 0.500 0.500 -0.000
Ir 0.500 0.572 0.713
Ir 0.500 0.428 0.... |
Below is a description of a material. | The chemical formula is: VZnF4.
The XRD pattern shows main peaks at: 17.1°(0.26), 18.0°(0.96), 25.3°(1.0), 27.2°(0.84), 29.0°(0.85), 30.3°(0.89), 33.3°(0.94), 36.4°(0.22), 38.7°(0.39), 39.5°(0.21), 40.6°(0.17), 41.1°(0.16), 42.1°(0.26), 44.8°(0.32), 49.1°(0.25), 50.2°(0.39), 51.9°(0.29), 55.8°(0.52), 61.4°(0.23), 64.3°... | JVASP-9540 | 5.07 5.46 5.87
108 103 87
V 0.505 0.001 0.004
V 0.005 0.501 0.004
Zn 0.639 0.695 0.413
Zn 0.370 0.306 0.594
F 0.660 0.991 0.710
F 0.725 0.355 0.150
F 0.349 0.010 0.298
F 0.815 0.824 0.191
F 0.284 0.646 0.857
F 0.743 0.475 0.660
F 0.194 0.177 0.817
F 0.266 0.526 0.347 |
Below is a description of a material. | The chemical formula is: PaZnCo2.
The XRD pattern shows main peaks at: 24.6°(0.31), 28.4°(0.22), 40.6°(1.0), 48.1°(0.17), 50.3°(0.06), 58.8°(0.17), 64.7°(0.08), 66.6°(0.09), 73.9°(0.32), 79.3°(0.06), 88.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161110 | 4.44 4.44 4.44
60 60 60
Pa 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Co 0.500 0.500 0.500
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaTe2.
The XRD pattern shows main peaks at: 16.1°(0.18), 19.4°(0.11), 27.2°(1.0), 28.0°(0.19), 29.8°(0.34), 31.0°(0.63), 34.0°(0.33), 38.6°(0.21), 39.4°(0.16), 41.9°(0.16), 45.5°(0.14), 46.1°(0.08), 48.4°(0.08), 52.4°(0.19), 54.6°(0.15), 55.5°(0.16), 56.3°(0.12), 58.3°(0.12), 61.1°(0.07), 62.8°... | JVASP-130854 | 6.89 4.66 4.70
90 60 109
Ba -0.000 0.333 0.333
Te 0.262 -0.035 0.619
Te 0.738 0.702 0.048 |
Below is a description of a material. | The chemical formula is: Ta2GaC.
The XRD pattern shows main peaks at: 13.1°(0.12), 26.3°(0.07), 33.0°(0.23), 33.7°(0.11), 38.7°(1.0), 59.0°(0.2), 72.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149607 | 3.13 3.13 13.56
90 90 120
Ta 0.667 0.333 0.091
Ta 0.333 0.667 0.591
Ta 0.333 0.667 0.909
Ta 0.667 0.333 0.409
Ga 0.667 0.333 0.750
Ga 0.333 0.667 0.250
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: RbBiSe.
The XRD pattern shows main peaks at: 14.5°(0.62), 18.1°(0.37), 26.4°(0.74), 27.5°(1.0), 29.3°(0.24), 30.3°(0.23), 32.2°(0.21), 33.4°(0.44), 38.5°(0.8), 39.8°(0.2), 40.6°(0.15), 43.1°(0.43), 45.0°(0.15), 45.7°(0.15), 49.1°(0.17), 52.9°(0.18), 55.4°(0.18), 62.1°(0.2), 62.4°(0.26), 63.1°(0... | JVASP-117749 | 6.66 5.37 3.37
90 90 66
Rb 0.462 0.101 0.000
Bi 0.047 -0.192 0.000
Se -0.134 0.399 0.000 |
Below is a description of a material. | The chemical formula is: LiAl3.
The XRD pattern shows main peaks at: 22.0°(0.24), 31.3°(0.18), 38.5°(1.0), 44.8°(0.53), 50.4°(0.09), 55.6°(0.06), 65.2°(0.33), 78.4°(0.4), 82.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16365 | 4.05 4.05 4.05
90 90 90
Li 0.000 0.000 0.000
Al 0.500 0.500 0.000
Al 0.500 0.000 0.500
Al 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErGa4Ni.
The XRD pattern shows main peaks at: 17.8°(0.07), 26.4°(0.08), 31.3°(0.14), 35.6°(1.0), 36.1°(0.16), 36.9°(0.47), 38.1°(0.33), 39.5°(0.56), 42.9°(0.09), 44.4°(0.34), 45.2°(0.21), 50.6°(0.09), 55.9°(0.15), 58.6°(0.09), 60.0°(0.17), 64.6°(0.09), 65.3°(0.14), 68.9°(0.08), 74.1°(0.1), 76.0... | JVASP-152004 | 7.85 7.85 6.58
90 90 149
Er 0.621 0.379 0.750
Er 0.379 0.621 0.250
Ga 0.000 0.000 0.000
Ga 0.000 0.000 0.500
Ga 0.431 0.569 0.750
Ga 0.569 0.431 0.250
Ga 0.815 0.185 0.950
Ga 0.185 0.815 0.450
Ga 0.815 0.185 0.550
Ga 0.185 0.815 0.050
Ni 0.277 0.723 0.750
Ni 0.723 0.277 0.250 |
Below is a description of a material. | The chemical formula is: CuCl.
The XRD pattern shows main peaks at: 23.4°(0.13), 30.4°(0.09), 33.4°(1.0), 50.0°(0.13), 52.1°(0.47), 56.0°(0.16), 66.7°(0.07), 78.3°(0.07), 79.9°(0.09), 83.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12510 | 6.57 6.57 6.57
90 90 90
Cu 0.619 0.881 0.119
Cu 0.881 0.119 0.619
Cu 0.119 0.619 0.881
Cu 0.381 0.381 0.381
Cu 0.381 0.119 0.881
Cu 0.119 0.881 0.381
Cu 0.881 0.381 0.119
Cu 0.619 0.619 0.619
Cl 0.156 0.344 0.656
Cl 0.344 0.656 0.156
Cl 0.656 0.156 0.344
Cl 0.844 0.844 0.844
Cl 0.844 0.656 0.344
Cl 0.656 0.344 0.844
Cl... |
Below is a description of a material. | The chemical formula is: Li3Mn2O5.
The XRD pattern shows main peaks at: 11.4°(0.14), 12.0°(0.09), 14.3°(0.1), 18.6°(1.0), 23.9°(0.06), 35.4°(0.13), 37.0°(0.21), 42.3°(0.33), 45.1°(0.45), 63.0°(0.08), 63.6°(0.12), 65.3°(0.07), 65.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-145990 | 2.92 8.04 7.70
75 97 89
Li 0.600 0.700 0.200
Li 0.600 0.200 0.200
Li 0.744 0.107 0.581
Li 0.455 0.293 0.819
Li 0.023 0.480 0.009
Li 0.177 0.920 0.391
Mn 0.031 0.006 0.008
Mn 0.424 0.796 0.806
Mn 0.169 0.394 0.392
Mn 0.776 0.604 0.594
O 0.160 0.639 0.406
O 0.457 0.033 0.824
O 0.743 0.367 0.576
O 0.609 0.445 0.221
O 0.59... |
Below is a description of a material. | The chemical formula is: BeTcIr.
The XRD pattern shows main peaks at: 14.6°(0.7), 29.4°(0.27), 38.3°(0.27), 41.2°(1.0), 44.7°(0.17), 49.0°(0.53), 60.3°(0.16), 69.2°(0.16), 71.2°(0.07), 74.3°(0.18), 76.9°(0.1), 83.8°(0.13), 86.3°(0.17), 89.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-70243 | 2.71 2.71 6.08
90 90 120
Be 0.000 0.000 0.993
Tc 0.667 0.333 0.322
Ir 0.333 0.667 0.685 |
Below is a description of a material. | The chemical formula is: Nd2Al3Ge4.
The XRD pattern shows main peaks at: 19.2°(0.31), 23.7°(0.12), 29.1°(0.19), 32.1°(0.5), 32.7°(0.18), 33.5°(0.61), 35.1°(1.0), 35.6°(0.68), 36.9°(0.74), 37.9°(0.34), 46.7°(0.22), 50.5°(0.25), 51.3°(0.16), 55.6°(0.25), 58.5°(0.11), 58.8°(0.21), 60.4°(0.15), 65.5°(0.16), 67.0°(0.13), 72... | JVASP-145696 | 8.11 8.11 8.02
90 90 135
Nd 0.614 0.386 0.918
Nd 0.386 0.614 0.082
Nd 0.886 0.114 0.418
Nd 0.114 0.886 0.582
Al 0.035 0.465 0.750
Al 0.965 0.535 0.250
Al 0.465 0.035 0.250
Al 0.000 0.000 0.000
Al 0.500 0.500 0.500
Al 0.535 0.965 0.750
Ge 0.813 0.187 0.054
Ge 0.704 0.796 0.750
Ge 0.796 0.704 0.250
Ge 0.296 0.204 0.250
G... |
Below is a description of a material. | The chemical formula is: BaCu2Sn2.
The XRD pattern shows main peaks at: 26.9°(0.31), 30.8°(1.0), 31.5°(0.47), 38.5°(0.64), 42.5°(0.21), 45.2°(0.17), 50.1°(0.52), 55.6°(0.2), 57.0°(0.19), 60.8°(0.14), 62.8°(0.07), 64.9°(0.12), 65.3°(0.1), 67.5°(0.05), 72.4°(0.09), 78.0°(0.14), 80.5°(0.13), 82.5°(0.07), 83.7°(0.14), 87.0... | JVASP-155776 | 4.68 4.68 6.46
111 111 90
Ba 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Sn 0.636 0.636 0.272
Sn 0.364 0.364 0.728 |
Below is a description of a material. | The chemical formula is: NbRu2HRh.
The XRD pattern shows main peaks at: 39.5°(1.0), 44.8°(0.2), 46.6°(0.35), 66.6°(0.23), 68.0°(0.11), 79.0°(0.14), 81.6°(0.26), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190250 | 3.90 3.90 4.05
90 90 90
Ru 0.000 0.500 0.000
Ru 0.500 -0.000 -0.000
Nb 0.000 -0.000 0.500
Rh 0.500 0.500 0.500
H 0.000 -0.000 -0.000 |
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